1-iodo-2-methylidenecyclopentane

C6H9I — CID 147335853

IUPAC1-iodo-2-methylidenecyclopentane
SMILESC=C1CCCC1I
InChIInChI=1S/C6H9I/c1-5-3-2-4-6(5)7/h6H,1-4H2
InChIKeyDCNUYGJGWUQCQY-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.53
Rot. Bonds

About 1-iodo-2-methylidenecyclopentane

1-iodo-2-methylidenecyclopentane (PubChem CID 147335853) has the molecular formula C6H9I and a molecular weight of 208.04 g/mol. Its IUPAC name is 1-iodo-2-methylidenecyclopentane.

Molecular Properties

Compound Name1-iodo-2-methylidenecyclopentane
PubChem CID147335853
Molecular FormulaC6H9I
Molecular Weight208.04 g/mol
Exact Mass207.97
IUPAC Name1-iodo-2-methylidenecyclopentane
SMILESC=C1CCCC1I
InChIInChI=1S/C6H9I/c1-5-3-2-4-6(5)7/h6H,1-4H2
InChIKeyDCNUYGJGWUQCQY-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylidenecyclopentane?
The IUPAC name of 1-iodo-2-methylidenecyclopentane (CID 147335853) is 1-iodo-2-methylidenecyclopentane.
What is the SMILES notation for 1-iodo-2-methylidenecyclopentane?
The canonical SMILES for 1-iodo-2-methylidenecyclopentane is C=C1CCCC1I.
What is the InChIKey of 1-iodo-2-methylidenecyclopentane?
The InChIKey is DCNUYGJGWUQCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I/c1-5-3-2-4-6(5)7/h6H,1-4H2.
What are the key properties of 1-iodo-2-methylidenecyclopentane?
1-iodo-2-methylidenecyclopentane has a molecular weight of 208.04 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylidenecyclopentane is sourced from PubChem (CID 147335853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).